Iodine in PDB 4n6q: Crystal Structure of Vosa Velvet Domain

The structure of Crystal Structure of Vosa Velvet Domain, PDB code: 4n6q was solved by Y.L.Ahmed, A.Dickmanns, P.Neumann, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.10 / 1.79
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	45.400, 45.400, 189.430, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22

The binding sites of Iodine atom in the Crystal Structure of Vosa Velvet Domain (pdb code 4n6q). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Crystal Structure of Vosa Velvet Domain, PDB code: 4n6q:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of Vosa Velvet Domain


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Vosa Velvet Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:24.9 occ:0.72 I A:IOD302 3.6 37.6 0.3 O A:HOH433 4.5 26.9 1.0

Iodine binding site 2 out of 3 in the Crystal Structure of Vosa Velvet Domain


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Vosa Velvet Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:37.6 occ:0.34 O A:HOH448 2.9 34.6 1.0 O A:HOH433 3.3 26.9 1.0 I A:IOD301 3.6 24.9 0.7 CA A:SER91 4.0 21.6 1.0 CB A:SER91 4.1 23.2 1.0 N A:SER91 4.2 21.2 1.0 CB A:PRO90 4.4 24.3 1.0 C A:PRO90 4.4 19.9 1.0 O A:PRO90 4.5 18.1 1.0 O A:HOH482 4.6 27.8 1.0 O A:HOH450 5.0 21.8 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of Vosa Velvet Domain


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Vosa Velvet Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:36.4 occ:0.31 O A:HOH420 3.2 20.1 1.0 N A:SER87 3.2 23.5 1.0 OD1 A:ASP79 3.3 24.7 1.0 CA A:ALA86 3.8 18.1 1.0 C A:ALA86 4.0 25.1 1.0 CB A:ALA86 4.0 19.1 1.0 O A:HOH562 4.0 29.4 1.0 CB A:SER87 4.1 30.9 1.0 CA A:SER87 4.1 24.1 1.0 CE1 A:PHE129 4.1 25.7 1.0 CG A:ASP79 4.2 23.5 1.0 CA A:ASP79 4.4 16.7 1.0 OG A:SER87 4.4 34.9 1.0 C A:SER87 4.4 25.1 1.0 O A:HOH588 4.5 48.4 1.0 CG1 A:ILE88 4.5 23.6 1.0 O A:SER87 4.5 26.6 1.0 O A:HOH564 4.5 47.7 1.0 CD1 A:PHE129 4.5 17.9 1.0 CB A:ASP79 4.6 20.3 1.0 CD1 A:ILE88 4.7 23.9 1.0

Y.L.Ahmed, J.Gerke, H.S.Park, O.Bayram, P.Neumann, M.Ni, A.Dickmanns, S.C.Kim, J.H.Yu, G.H.Braus, R.Ficner. The Velvet Family of Fungal Regulators Contains A Dna-Binding Domain Structurally Similar to Nf-Kappa B. Plos Biol. V. 11 01750 2013.
ISSN: ISSN 1544-9173
PubMed: 24391470
DOI: 10.1371/JOURNAL.PBIO.1001750